CID 70849

1149-23-1

Structural Information

Molecular Formula

C₁₃H₁₉NO₄

SMILES

CCOC(=O)C1=C(NC(=C(C1)C(=O)OCC)C)C

InChI

InChI=1S/C13H19NO4/c1-5-17-12(15)10-7-11(13(16)18-6-2)9(4)14-8(10)3/h14H,5-7H2,1-4H3

InChIKey

LJXTYJXBORAIHX-UHFFFAOYSA-N

Compound name

diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 19
References: 2501
Patents: 253.13141 Da
Monoisotopic Mass: 1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	254.13869	158.6
[M+Na]+	276.12063	168.7
[M+NH4]+	271.16523	163.8
[M+K]+	292.09457	164.6
[M-H]-	252.12413	157.5
[M+Na-2H]-	274.10608	160.9
[M]+	253.13086	159.4
[M]-	253.13196	159.4

Literature stripe

literature stripe

Patent stripe

patents stripe